Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7CB5
DownloadVisualize
BU of 7cb5 by Molmil
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
Descriptor: 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
7CB6
DownloadVisualize
BU of 7cb6 by Molmil
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Descriptor: 6-phosphogluconate dehydrogenase, decarboxylating, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-06-10
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Nat Commun, 12, 2021
8HEI
DownloadVisualize
BU of 8hei by Molmil
Crystal structure of CTSB in complex with E64d
Descriptor: Cathepsin B, GLYCEROL, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HD8
DownloadVisualize
BU of 8hd8 by Molmil
Crystal structure of TMPRSS2 in complex with 212-148
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ...
Authors:Wang, H, Liu, X, Sun, L, Yang, H.
Deposit date:2022-11-03
Release date:2023-12-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HET
DownloadVisualize
BU of 8het by Molmil
Crystal structure of CTSL in complex with E64d
Descriptor: Procathepsin L, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HE9
DownloadVisualize
BU of 8he9 by Molmil
Crystal structure of CTSB in complex with K777
Descriptor: Cathepsin B, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-07
Release date:2023-12-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HEN
DownloadVisualize
BU of 8hen by Molmil
Crystal structure of CTSB in complex with 212-148
Descriptor: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ...
Authors:Wang, H, Li, D, Sun, L, Yang, H.
Deposit date:2022-11-08
Release date:2023-12-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
8HFV
DownloadVisualize
BU of 8hfv by Molmil
Crystal structure of CTSL in complex with K777
Descriptor: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ...
Authors:Wang, H, Shao, M, Sun, L, Yang, H.
Deposit date:2022-11-12
Release date:2023-12-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
2F5H
DownloadVisualize
BU of 2f5h by Molmil
Solution structure of the alpha-domain of human Metallothionein-3
Descriptor: CADMIUM ION, Metallothionein-3
Authors:Wang, H, Zhang, Q, Cai, B, Li, H.Y, Sze, K.H, Huang, Z.X, Wu, H.M, Sun, H.Z.
Deposit date:2005-11-25
Release date:2006-05-30
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure and dynamics of human metallothionein-3 (MT-3)
Febs Lett., 580, 2006
2CVL
DownloadVisualize
BU of 2cvl by Molmil
Crystal structure of TTHA0137 from Thermus Thermophilus HB8
Descriptor: protein translation initiation inhibitor
Authors:Wang, H, Murayama, K, Terada, T, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-06-08
Release date:2005-12-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of TTHA0137 from Thermus Thermophilus HB8
TO BE PUBLISHED
1BPR
DownloadVisualize
BU of 1bpr by Molmil
NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNAK
Authors:Wang, H, Kurochkin, A.V, Pang, Y, Hu, W, Flynn, G.C, Zuiderweg, E.R.P.
Deposit date:1998-08-11
Release date:1999-03-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of the 21 kDa chaperone protein DnaK substrate binding domain: a preview of chaperone-protein interaction.
Biochemistry, 37, 1998
8V77
DownloadVisualize
BU of 8v77 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 13
Descriptor: (3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V6Z
DownloadVisualize
BU of 8v6z by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 4
Descriptor: (5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V71
DownloadVisualize
BU of 8v71 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 7
Descriptor: (5M)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V73
DownloadVisualize
BU of 8v73 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 9
Descriptor: (5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V6X
DownloadVisualize
BU of 8v6x by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 2
Descriptor: (1S,2S)-2-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]cyclopropane-1-carboxylic acid, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V79
DownloadVisualize
BU of 8v79 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 15
Descriptor: (3P,5M)-3-[3-(1-cyclobutylpiperidin-4-yl)phenyl]-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V70
DownloadVisualize
BU of 8v70 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 6
Descriptor: (5P)-3-phenyl-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase, SULFATE ION
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V72
DownloadVisualize
BU of 8v72 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 8
Descriptor: (5P)-5-(1H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-2,1-benzoxazole, Inositol polyphosphate multikinase, SULFATE ION
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V75
DownloadVisualize
BU of 8v75 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 11
Descriptor: Inositol polyphosphate multikinase, N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide, SULFATE ION
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V6W
DownloadVisualize
BU of 8v6w by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 1
Descriptor: (2E)-3-[3-(3,5-dimethylphenyl)-2,1-benzoxazol-5-yl]prop-2-enoic acid, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V74
DownloadVisualize
BU of 8v74 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 10
Descriptor: Inositol polyphosphate multikinase, N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V6Y
DownloadVisualize
BU of 8v6y by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 3
Descriptor: 3-(3,5-dimethylphenyl)-2,1-benzoxazole-5-carboxylic acid, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V78
DownloadVisualize
BU of 8v78 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 14
Descriptor: (3P,5M)-3-{3-[(3,5-dichloropyridin-2-yl)oxy]phenyl}-5-(1H-tetrazol-5-yl)-2,1-benzoxazole, Inositol polyphosphate multikinase
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published
8V76
DownloadVisualize
BU of 8v76 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with compound 12
Descriptor: Inositol polyphosphate multikinase, N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopentanecarboxamide, SULFATE ION
Authors:Wang, H, Shears, S.B.
Deposit date:2023-12-04
Release date:2024-12-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based development of IPMK kinase inhibitors.
To Be Published

234136

数据于2025-04-02公开中

PDB statisticsPDBj update infoContact PDBjnumon